ethyl 2-[5-(ethoxycarbonylcarbamothioyl)-1H-pyrrol-2-yl]ethanoate

Systemtic Name: ethyl 2-[5-(ethoxycarbonylcarbamothioyl)-1H-pyrrol-2-yl]ethanoate Openeye Name: ethyl 2-[5-(ethoxycarbonylcarbamothioyl)-1H-pyrrol-2-yl]acetate CAS Name: 2-[5-[(ethoxycarbonylamino)-sulfanylidenemethyl]-1H-pyrrol-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(ethoxycarbonylcarbamothioyl)-1H-pyrrol-2-yl]acetate Traditional Name: 2-[5-(carbethoxythiocarbamoyl)-1H-pyrrol-2-yl]acetic acid ethyl ester Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=C(N1)C(=S)NC(=O)OCC

Isomeric SMILES

CCOC(=O)CC1=CC=C(N1)C(=S)NC(=O)OCC

InChI

InChI=1S/C12H16N2O4S/c1-3-17-10(15)7-8-5-6-9(13-8)11(19)14-12(16)18-4-2/h5-6,13H,3-4,7H2,1-2H3,(H,14,16,19)